Base information
| Cat. No. | |
| CAS No. | 816-79-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H14 |
| Molecular Weight | 98.1861 |
| Exact Mass | 98.1096 |
| XLogP3 | 2.7527 |
| Mr | 35.289 |
| PSA | 0 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCC(=CC)CC |
